N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide

C24H35N3O — CID 84556601

IUPACN-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NCCCCN(CC)CC)c1
InChIInChI=1S/C24H35N3O/c1-4-21-13-7-8-15-23(21)26-19-20-12-11-14-22(18-20)24(28)25-16-9-10-17-27(5-2)6-3/h7-8,11-15,18,26H,4-6,9-10,16-17,19H2,1-3H3,(H,25,28)
InChIKeyVQKLCEMMQKPDBL-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.71
Rot. Bonds12

About N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide

N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84556601) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84556601
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NCCCCN(CC)CC)c1
InChIInChI=1S/C24H35N3O/c1-4-21-13-7-8-15-23(21)26-19-20-12-11-14-22(18-20)24(28)25-16-9-10-17-27(5-2)6-3/h7-8,11-15,18,26H,4-6,9-10,16-17,19H2,1-3H3,(H,25,28)
InChIKeyVQKLCEMMQKPDBL-UHFFFAOYSA-N
XLogP4.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556572
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-methylbutanoic acid
CID 84556582
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid
CID 84556600
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556609
3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 84556584

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide (CID 84556601) is N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)NCCCCN(CC)CC)c1.
What is the InChIKey of N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is VQKLCEMMQKPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-4-21-13-7-8-15-23(21)26-19-20-12-11-14-22(18-20)24(28)25-16-9-10-17-27(5-2)6-3/h7-8,11-15,18,26H,4-6,9-10,16-17,19H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide?
N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 381.56 g/mol, XLogP of 4.71, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84556601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).